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129872-50-0

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Basic Information
CAS No.: 129872-50-0
Name: 4-(Methylsulfonylamino)benzylamine
Article Data: 5
Molecular Structure:
Molecular Structure of 129872-50-0 (4-(Methylsulfonylamino)benzylamine)
Formula: C8H12N2O2S
Molecular Weight: 200.261
Synonyms: 4-(Methylsulfonylamino)benzylamine;
Density: 1.335 g/cm3
Melting Point: 255-257 °C
Boiling Point: 353.9 °C at 760 mmHg
Flash Point: 167.8 °C
PSA: 80.57000
LogP: 2.37090
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Specification

The Methanesulfonamide,N-[4-(aminomethyl)phenyl]-, with the CAS registry number of 129872-50-0, is also known as 4-(Methylsulfonylamino)benzylamine. It belongs to the product categories of Amines and Anilines; Boron, Nitrile, Thio & TM-Cpds. Its molecular formula is C8H12N2O2S and molecular weight is 200.2581. What's more, its systematic name is N-[4-(Aminomethyl)phenyl]methanesulfonamide.

Physical properties about the Methanesulfonamide,N-[4-(aminomethyl)phenyl]- are: (1)ACD/LogP: -0.18; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -3.19; (4)ACD/LogD (pH 7.4): -2.03; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 4; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 49 Å2; (13)Index of Refraction: 1.611; (14)Molar Refractivity: 52.09 cm3; (15)Molar Volume: 149.9 cm3; (16)Surface Tension: 58.8 dyne/cm; (17)Density: 1.335 g/cm3; (18)Flash Point: 167.8 °C; (19)Enthalpy of Vaporization: 59.89 kJ/mol; (20)Boiling Point: 353.9 °C at 760 mmHg; (21)Vapour Pressure: 3.47E-05 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=S(=O)(Nc1ccc(cc1)CN)C
(2) InChI: InChI=1/C8H12N2O2S/c1-13(11,12)10-8-4-2-7(6-9)3-5-8/h2-5,10H,6,9H2,1H3
(3) InChIKey: IZJVPNBRAKIMBK-UHFFFAOYAL